3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one

C13H15FN2O — CID 115000723

IUPAC3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
SMILESCC1(C)CC1NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-13(2)6-10(13)16-11-8-4-3-7(14)5-9(8)15-12(11)17/h3-5,10-11,16H,6H2,1-2H3,(H,15,17)
InChIKeyNYLHKHOBEVOTLK-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.21
Rot. Bonds2

About 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one

3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 115000723) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
PubChem CID115000723
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
SMILESCC1(C)CC1NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-13(2)6-10(13)16-11-8-4-3-7(14)5-9(8)15-12(11)17/h3-5,10-11,16H,6H2,1-2H3,(H,15,17)
InChIKeyNYLHKHOBEVOTLK-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 43745994
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43192669
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
CID 43567793
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
CID 43726107
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535493
6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
CID 114993104
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one (CID 115000723) is 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one is CC1(C)CC1NC1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is NYLHKHOBEVOTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(2)6-10(13)16-11-8-4-3-7(14)5-9(8)15-12(11)17/h3-5,10-11,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one?
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 115000723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).